2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde

C6H8O3 — CID 102650670

IUPAC2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde
SMILESO=CC(O)C1=CCCO1
InChIInChI=1S/C6H8O3/c7-4-5(8)6-2-1-3-9-6/h2,4-5,8H,1,3H2
InChIKeyXLBVDVAVJZKZFT-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds2

About 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde

2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde (PubChem CID 102650670) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde
PubChem CID102650670
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde
SMILESO=CC(O)C1=CCCO1
InChIInChI=1S/C6H8O3/c7-4-5(8)6-2-1-3-9-6/h2,4-5,8H,1,3H2
InChIKeyXLBVDVAVJZKZFT-UHFFFAOYSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydrofuran-5-yl)but-3-en-1-ol
CID 102654863
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
CID 130123097
[Di(4,5-dihydrofuran-2-yl)methyl]silane
CID 78067895
5-(difluoromethyl)-2,3-dihydrofuran
CID 54083806
1-cyclopropyl-2-(2,3-dihydrofuran-5-yl)ethane-1,2-diol
CID 103456728
1-(2,3-dihydrofuran-5-yl)-2-methylsulfonylethanol
CID 102654014
2,3-dihydrofuran-5-yl(phenyl)methanol
CID 102650514
1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol
CID 102653906
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol
CID 102653975
2,3-dihydrofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 102650763
2,3-dihydrofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
CID 107005508
2,3-dihydrofuran-5-yl-(4-fluorophenyl)methanol
CID 102650533

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde?
The IUPAC name of 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde (CID 102650670) is 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde?
The canonical SMILES for 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde is O=CC(O)C1=CCCO1.
What is the InChIKey of 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde?
The InChIKey is XLBVDVAVJZKZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-5(8)6-2-1-3-9-6/h2,4-5,8H,1,3H2.
What are the key properties of 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde?
2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde has a molecular weight of 128.13 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-5-yl)-2-hydroxyacetaldehyde is sourced from PubChem (CID 102650670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).